Found 36 results

Search term: MF = 'C_{24}H_{40}O_{7}'
ChemSpider 2D Image | klysimplexin G | C24H40O7

klysimplexin G

  • Molecular FormulaC24H40O7
  • Average mass440.570 Da
  • Monoisotopic mass440.277405 Da
  • ChemSpider ID24672793

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,2S,3R,6R,7R,8R,9R,12S,13S)-12,13-Dihydroxy-6-isopropyl-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadecan-3,9-diyl-diacetat [German] [ACD/IUPAC Name]
(1R,2S,3R,6R,7R,8R,9R,12S,13S)-12,13-Dihydroxy-6-isopropyl-3,9,13-trimethyl-15-oxatricyclo[6.6.1.02,7]pentadecane-3,9-diyl diacetate [ACD/IUPAC Name]
5,12-Epoxybenzocyclodecene-1,6,9,10-tetrol, tetradecahydro-1,6,10-trimethyl-4-(1-methylethyl)-, 1,6-diacetate, (1R,4R,4aR,5R,6R,9S,10S,12R,12aS)- [ACD/Index Name]
Diacétate de (1R,2S,3R,6R,7R,8R,9R,12S,13S)-12,13-dihydroxy-6-isopropyl-3,9,13-triméthyl-15-oxatricyclo[6.6.1.02,7]pentadécane-3,9-diyle [French] [ACD/IUPAC Name]
klysimplexin G

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 512.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.2±6.0 kJ/mol
Flash Point: 162.1±23.6 °C
Index of Refraction: 1.523
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 3.53
ACD/BCF (pH 5.5): 283.76
ACD/KOC (pH 5.5): 1983.47
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 283.76
ACD/KOC (pH 7.4): 1983.47
Polar Surface Area: 102 Å2
Polarizability: 45.8±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 378.0±5.0 cm3

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